3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole

C7H8BrFN2 — CID 105473438

IUPAC3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole
SMILESCC1(F)CCc2[nH]nc(Br)c21
InChIInChI=1S/C7H8BrFN2/c1-7(9)3-2-4-5(7)6(8)11-10-4/h2-3H2,1H3,(H,10,11)
InChIKeyBIAGEXOFNXDCLA-UHFFFAOYSA-N
MW219.06 g/mol
LogP2.30
Rot. Bonds

About 3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole

3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole (PubChem CID 105473438) has the molecular formula C7H8BrFN2 and a molecular weight of 219.06 g/mol. Its IUPAC name is 3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole
PubChem CID105473438
Molecular FormulaC7H8BrFN2
Molecular Weight219.06 g/mol
Exact Mass217.99
IUPAC Name3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole
SMILESCC1(F)CCc2[nH]nc(Br)c21
InChIInChI=1S/C7H8BrFN2/c1-7(9)3-2-4-5(7)6(8)11-10-4/h2-3H2,1H3,(H,10,11)
InChIKeyBIAGEXOFNXDCLA-UHFFFAOYSA-N
XLogP2.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.06
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole?
The IUPAC name of 3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole (CID 105473438) is 3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole.
What is the SMILES notation for 3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole?
The canonical SMILES for 3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole is CC1(F)CCc2[nH]nc(Br)c21.
What is the InChIKey of 3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole?
The InChIKey is BIAGEXOFNXDCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2/c1-7(9)3-2-4-5(7)6(8)11-10-4/h2-3H2,1H3,(H,10,11).
What are the key properties of 3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole?
3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole has a molecular weight of 219.06 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazole is sourced from PubChem (CID 105473438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).